⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4907123 | 0.68 | PDPK1 (0.44) | — | |
| SCHEMBL29394441 | 0.68 | ADORA3 (0.33) | — | |
| SCHEMBL31439409 | 0.68 | — | — | |
| Water SCHEMBL8757461 | 0.67 | PDPK1 (0.42) | — | |
| SCHEMBL27734016 | 0.63 | ADORA3 (0.35) | — | |
| SCHEMBL27567094 | 0.59 | PI4KA (0.43) | — | |
| SCHEMBL42335 | 0.58 | ADORA2A (0.61) | — | |
| SCHEMBL29454410 | 0.58 | ADORA2A (0.61) | — | |
| SCHEMBL6481197 | 0.57 | NUDT1 (0.35) | — | |
| SCHEMBL5386447 | 0.56 | PNP (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993776-A1 | Composition for the treatment of cut tulip flowers | Instituut voor Agrotechnologisch Onderzoek (ATO-DLO) (NL) | 2000-04-19 | — | — | EP | disclosed |